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DocumentationIdentifier: MM406444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406444 |
| SMILES |
COCC(O)C(CO)CO
|
| InChIKey |
VCFVWEPWPMQAKW-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
-1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375714
Similarity: 0.7912
Similarity to MM375714
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8834 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362196
Similarity: 0.7576
Similarity to MM362196
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8657 |
| Dice metric | 0.8621 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241840
Similarity: 0.7327
Similarity to MM241840
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8457 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
